CID 476928

Pnu 171832

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CC(=O)NC[C@H]1CC(=NO1)C2=CC=C(C=C2)C3=CCN(CC3)C(=O)CO
InChI
InChI=1S/C19H23N3O4/c1-13(24)20-11-17-10-18(21-26-17)16-4-2-14(3-5-16)15-6-8-22(9-7-15)19(25)12-23/h2-6,17,23H,7-12H2,1H3,(H,20,24)/t17-/m1/s1
InChIKey
UZDQAKCZSLBAOL-QGZVFWFLSA-N
Compound name
N-[[(5R)-3-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

357.16885 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 185.4
[M+Na]+ 380.15807 189.0
[M-H]- 356.16157 191.3
[M+NH4]+ 375.20267 194.1
[M+K]+ 396.13201 186.2
[M+H-H2O]+ 340.16611 175.5
[M+HCOO]- 402.16705 201.0
[M+CH3COO]- 416.18270 212.8
[M+Na-2H]- 378.14352 184.1
[M]+ 357.16830 183.3
[M]- 357.16940 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe